1-[4-(2,3-dimethylquinoxalin-6-yl)carbonyl-1,4-diazepan-1-yl]pent-4-en-1-one

Systemtic Name: 1-[4-(2,3-dimethylquinoxalin-6-yl)carbonyl-1,4-diazepan-1-yl]pent-4-en-1-one Openeye Name: 1-[4-(2,3-dimethylquinoxaline-6-carbonyl)-1,4-diazepan-1-yl]pent-4-en-1-one CAS Name: 1-[4-[(2,3-dimethyl-6-quinoxalinyl)-oxomethyl]-1,4-diazepan-1-yl]-4-penten-1-one IUPAC Name: 1-[4-(2,3-dimethylquinoxaline-6-carbonyl)-1,4-diazepan-1-yl]pent-4-en-1-one Traditional Name: 1-[4-(2,3-dimethylquinoxaline-6-carbonyl)-1,4-diazepan-1-yl]pent-4-en-1-one Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)N3CCCN(CC3)C(=O)CCC=C)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)N3CCCN(CC3)C(=O)CCC=C)N=C1C

InChI

InChI=1S/C21H26N4O2/c1-4-5-7-20(26)24-10-6-11-25(13-12-24)21(27)17-8-9-18-19(14-17)23-16(3)15(2)22-18/h4,8-9,14H,1,5-7,10-13H2,2-3H3